5,10,15,20-tetrakis(4-aminophenyl)porphyrinatozinc(II) | 67595-98-6

Product Introduction

5,10,15,20-tetrakis(4-aminophenyl)porphyrinatozinc(II), a porphyrin-derived molecule, has garnered significant scientific interest due to its potential in anticancer therapies. The compound’s photochemical properties may be aptly harnessed for photodynamic therapy, effectively shrinking tumors. Moreover, the compound’s antioxidant attributes have garnered considerable attention, creating a possibility for treatment of oxidative stress-inflicted ailments. Recent studies have induced optimism for the compound’s use in co-treatments, in combination with frontline therapy drugs to better combat cancer.

Chemical Information
IUPAC Name	zinc;4-[(1Z,5Z,9Z,14Z)-10,15,20-tris(4-aminophenyl)-2,3,4,11,12,13-hexahydroporphyrin-21,22,23,24-tetraid-5-yl]aniline
Canonical SMILES	C1CC2=C(C3=CC=C([N-]3)C(=C4CCC([N-]4)C(=C5C=CC(=C(C1[N-]2)C6=CC=C(C=C6)N)[N-]5)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)C9=CC=C(C=C9)N.[Zn+2]
InChI	InChI=1S/C44H38N8.Zn/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-17,19,22,24,34,37H,18,20-21,23,45-48H2;/q-4;+2/b41-33-,42-35-,43-36-,44-39-;
InChI Key	HKMSNTTUMNPZPE-RZRDJKQOSA-N

Computed Properties
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	742.251085 g/mol
Monoisotopic Mass	742.251085 g/mol
Topological Polar Surface Area	108Ų
Heavy Atom Count	53
Formal Charge	-2
Complexity	1370
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes